Information card for entry 7247044

Structure parameters

• Chemical name: TB053P.K
• Formula: C16 H9 Cl N O5 P W
• Calculated formula: C16 H9 Cl N O5 P W
• SMILES: [W]([P]1(Cl)N(c2c3c1cccc3ccc2)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination
• Authors of publication: Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 31
• Pages of publication: 21313 - 21317
• a: 11.8259 ± 0.001 Å
• b: 12.6614 ± 0.0008 Å
• c: 12.5663 ± 0.001 Å
• α: 90°
• β: 110.673 ± 0.006°
• γ: 90°
• Cell volume: 1760.4 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No